3-[[(2R)-1-(cyclohexylamino)-3-methyl-1-oxidanylidene-butan-2-yl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[(2R)-1-(cyclohexylamino)-3-methyl-1-oxidanylidene-butan-2-yl]amino]propane-1-sulfonic acid Openeye Name: 3-[[(1R)-1-(cyclohexylcarbamoyl)-2-methyl-propyl]amino]propane-1-sulfonic acid CAS Name: 3-[[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]amino]propane-1-sulfonic acid Traditional Name: 3-[[(1R)-1-(cyclohexylcarbamoyl)-2-methyl-propyl]amino]propane-1-sulfonic acid Formula: C14H28N2O4S MolecularWeight: 320.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCCCC1)NCCCS(=O)(=O)O

Isomeric SMILES

CC(C)[C@H](C(=O)NC1CCCCC1)NCCCS(=O)(=O)O

InChI

InChI=1S/C14H28N2O4S/c1-11(2)13(15-9-6-10-21(18,19)20)14(17)16-12-7-4-3-5-8-12/h11-13,15H,3-10H2,1-2H3,(H,16,17)(H,18,19,20)/t13-/m1/s1